UCSF

ZINC02721300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 -0.41 -11.89 1 5 0 56 337.423 7
Mid Mid (pH 6-8) 0.20 -0.19 -35.82 2 5 1 58 338.431 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )